Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for HOCH₂CH₂NH₂ (monoethanolamine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		458
	Energy 298.15K		434
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		453
	HOMO-LUMO Energies		429
	Barriers to Internal Rotation		0
Geometries	Cartesians		452
	Internal Coordinates		449
	Products of moments of inertia		441
	Rotational Constants		452
	Point Group		465
Vibrations	Vibrational Frequencies		444
	Vibrational Intensities		424
	Zero-point energies		444
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		10
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		299
	Dipole		386
	Quadrupole		327
	Polarizability		355
Other results	Spin		0
	Number of basis functions		29
	Conformations		3	x